MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009145
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009145
RECORD_TITLE: DIETHYLENE GLYCOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O3
CH$EXACT_MASS: 106.06299
CH$SMILES: OCCOCCO
CH$IUPAC: InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
CH$LINK: INCHIKEY
MTHSVFCYNBDYFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020462
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002b-9000000000-5ac5a9644a3af66863e8
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 3.82 38
19 5.52 55
27 12.51 125
28 2.8 28
29 13.57 136
30 1.22 12
31 13.57 136
42 1.47 15
43 11.32 113
44 9.24 92
45 99.99 999
46 2.12 21
47 1.42 14
58 1.12 11
75 24.03 240
76 11 110
//
system version 2.2.6-SNAPSHOT